mp-706631-2/Na2B3HO6/harm

Harmonic properties

../../_images/fig_bandos_pr4465.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6284.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4465.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24278.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times7973.png

(a) Computation time